N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-2-phenethyl-1,3-benzoxazole-5-carboxamide

Systemtic Name: N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-2-phenethyl-1,3-benzoxazole-5-carboxamide Openeye Name: N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-2-phenethyl-1,3-benzoxazole-5-carboxamide CAS Name: N-[2-[(1-methyl-2-imidazolyl)thio]ethyl]-2-phenethyl-1,3-benzoxazole-5-carboxamide IUPAC Name: N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-2-phenethyl-1,3-benzoxazole-5-carboxamide Traditional Name: N-[2-[(1-methylimidazol-2-yl)thio]ethyl]-2-phenethyl-1,3-benzoxazole-5-carboxamide Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCCNC(=O)C2=CC3=C(C=C2)OC(=N3)CCC4=CC=CC=C4

Isomeric SMILES

CN1C=CN=C1SCCNC(=O)C2=CC3=C(C=C2)OC(=N3)CCC4=CC=CC=C4

InChI

InChI=1S/C22H22N4O2S/c1-26-13-11-24-22(26)29-14-12-23-21(27)17-8-9-19-18(15-17)25-20(28-19)10-7-16-5-3-2-4-6-16/h2-6,8-9,11,13,15H,7,10,12,14H2,1H3,(H,23,27)